SCHEMBL9685352

SCHEMBL9685352

CCOc1cc(C(OC)OC)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BCHE P06276 2/20 0.48
TYR P14679 2/20 0.48
ACHE P22303 2/20 0.48
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
BLM P54132 2/20 0.45
NFKB1 P19838 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TOP2A P11388 1/20 0.44
PMP22 Q01453 1/20 0.44
TP53 P04637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5382228 0.86 ALDH1A1 (0.51) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL10149066 0.82 ALDH1A1 (0.54) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1758270 0.82 ALDH1A1 (0.61) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11569410 0.82 BCHE (0.58) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9652071 0.82 GAA (0.54) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL31651462 0.82 TSHR (0.64) GAAMEN1KMT2ABCHETYR
SCHEMBL8740790 0.82 TSHR (0.64) GAAMEN1KMT2ABCHETYR
SCHEMBL29695965 0.81 GAA (0.52) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2761760 0.81 ALDH1A1 (0.51) GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL14323986 0.81 GAA (0.52) GAAALDH1A1MAPTSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506231-A1 Smoking composition containing a flavorant-release saccharide additive Philip Morris Products Inc. (US) 1992-09-30 EP disclosed